SCHEMBL6334580

SCHEMBL6334580

CCn1nccc1OC(=O)c1ccc(C(F)(F)F)cc1-n1nnn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCD O00767 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
CFTR P13569 1/20 0.32
SORT1 Q99523 3/20 0.32
DHODH Q02127 2/20 0.32
CNR2 P34972 1/20 0.32
BRD9 Q9H8M2 1/20 0.31
ADAMTS7 Q9UKP4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6328485 0.86 KDM4C (0.33) KDM5AKDM4CALDH1A1HPGDCYP2C19
SCHEMBL6327267 0.79 SMN1; SMN2 (0.33) KDM5AKDM4CALDH1A1HPGDCYP2C19
SCHEMBL6333530 0.77 MEN1 (0.32) KDM5AKDM4CALDH1A1HPGDRAB9A
SCHEMBL6858814 0.75
SCHEMBL6831046 0.75 CFTR (0.33) MAPTCFTRBRD9PDE4APDE4B
SCHEMBL6326674 0.73 MEN1 (0.30) RAB9ASMN1; SMN2
SCHEMBL6408428 0.72
SCHEMBL6327440 0.72 KDM4C (0.33) KDM5AKDM4CMAPTLMNACYP1A2
SCHEMBL6334633 0.72 PDE4A (0.33) ALDH1A1HPGDCYP2C19KDM4EUSP2
SCHEMBL6326586 0.68 KDM4E (0.32) KDM4EHSD17B10BRD9NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229358-C Novel tetrazolinone derivatives BAYER AGROCHEM KK (JP) 2005-11-30 CN disclosed
US-6936570-B2 Tetrazolinone derivatives NIHON BAYER AGROCHEM, K.K. (JP) 2005-08-30 US disclosed
US-20040242895-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-12-02 US disclosed
US-6790810-B2 Tetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 2004-09-14 US disclosed
US-20040102635-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-05-27 US disclosed
US-6624121-B1 Exemplified by 2-cyano-3-cyclopropyl-1-(3-((4-cyclopropyl-4,5-dihydro-5-oxo-1H-tetrazol-1 -yl)methyl)-2, 4-dichlorophenyl)propan-1,3-dione NIHON BAYER AGROCHEM K.K. (JP) 2003-09-23 US disclosed
CN-1370153-A Herbicidal tetrazolinone derivatives BAYER AGROCHEM KK (JP) 2002-09-18 CN disclosed
EP-1208090-A1 HERBICIDALTETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-05-29 EP disclosed
WO-2001010850-A1 HERBICIDAL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2001-02-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040102635-A1 Novel tetrazolinone derivatives CBR1, CBR3, CYP1B1 KDM5A 2397/4885KDM4C 834/4885ALDH1A1 225/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 KDM5A 2426/4885KDM4C 886/4885ALDH1A1 226/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.